Molecule card · MolClass #51714
14730202
14730202: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
1 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- Imported compound names
- 14730202Mitochondrial Fusion · compound_name
- MolClass ID
- 51714
- InChIKey
- MJNGCUKUBKRBTG-UHFFFAOYSA-N
- Canonical SMILES
- N=C(NOC(=O)Nc1ccc(c(c1)Cl)Cl)c2ncc(cc2Cl)C(F)(F)F
- Standard InChI
- InChI=1S/C14H8Cl3F3N4O2/c15-8-2-1-7(4-9(8)16)23-13(25)26-24-12(21)11-10(17)3-6(5-22-11)14(18,19)20/h1-5H,(H2,21,24)(H,23,25)
- Stored Murcko scaffold
- n1ccccc1[CH]NO[CH]Nc2ccccc2
Registry normalization: MIGRATED_RAW. A registry entry does not establish drug approval or clinical use.
Molecules with the same Murcko scaffold
Exact matches to the stored ring-and-linker framework. Sharing a scaffold does not by itself establish activity or applicability to a model.
No other molecules currently have this stored scaffold.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 3
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 87.1 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 427.593 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.062
- CDK 2.12 · 2026-08-19
Saved model predictions
Computational predictions, not experimental measurements or clinical guidance. Results depend on the model build; applicability indicates similarity to its training chemistry.
No saved predictions yet. Explore classification models to choose a prediction.
Source datasets
Dataset registrations and identifiers stored in MolClass.
Mitochondrial Fusion
Dataset #19 · 14730202